bis(1H-imidazol-2-yl)diazene;hydrochloride

C6H7ClN6 — CID 141477390

IUPACbis(1H-imidazol-2-yl)diazene;hydrochloride
SMILESCl.c1c[nH]c(N=Nc2ncc[nH]2)n1
InChIInChI=1S/C6H6N6.ClH/c1-2-8-5(7-1)11-12-6-9-3-4-10-6;/h1-4H,(H,7,8)(H,9,10);1H
InChIKeyFNKNBXXFFXPCOS-UHFFFAOYSA-N
MW198.62 g/mol
LogP1.97
Rot. Bonds2

About bis(1H-imidazol-2-yl)diazene;hydrochloride

bis(1H-imidazol-2-yl)diazene;hydrochloride (PubChem CID 141477390) has the molecular formula C6H7ClN6 and a molecular weight of 198.62 g/mol. Its IUPAC name is bis(1H-imidazol-2-yl)diazene;hydrochloride.

Molecular Properties

Compound Namebis(1H-imidazol-2-yl)diazene;hydrochloride
PubChem CID141477390
Molecular FormulaC6H7ClN6
Molecular Weight198.62 g/mol
Exact Mass198.04
IUPAC Namebis(1H-imidazol-2-yl)diazene;hydrochloride
SMILESCl.c1c[nH]c(N=Nc2ncc[nH]2)n1
InChIInChI=1S/C6H6N6.ClH/c1-2-8-5(7-1)11-12-6-9-3-4-10-6;/h1-4H,(H,7,8)(H,9,10);1H
InChIKeyFNKNBXXFFXPCOS-UHFFFAOYSA-N
XLogP1.97
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazol-2-yl)diazene;hydrochloride?
The IUPAC name of bis(1H-imidazol-2-yl)diazene;hydrochloride (CID 141477390) is bis(1H-imidazol-2-yl)diazene;hydrochloride.
What is the SMILES notation for bis(1H-imidazol-2-yl)diazene;hydrochloride?
The canonical SMILES for bis(1H-imidazol-2-yl)diazene;hydrochloride is Cl.c1c[nH]c(N=Nc2ncc[nH]2)n1.
What is the InChIKey of bis(1H-imidazol-2-yl)diazene;hydrochloride?
The InChIKey is FNKNBXXFFXPCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6.ClH/c1-2-8-5(7-1)11-12-6-9-3-4-10-6;/h1-4H,(H,7,8)(H,9,10);1H.
What are the key properties of bis(1H-imidazol-2-yl)diazene;hydrochloride?
bis(1H-imidazol-2-yl)diazene;hydrochloride has a molecular weight of 198.62 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazol-2-yl)diazene;hydrochloride is sourced from PubChem (CID 141477390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).